4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide

C30H22N4O3 — CID 108803165

IUPAC4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4cc(C)nn4-c4ccc5ccccc5n4)cc3)cc(=O)c2c1
InChIInChI=1S/C30H22N4O3/c1-18-7-13-26-23(15-18)25(35)17-27(37-26)21-8-10-22(11-9-21)30(36)32-29-16-19(2)33-34(29)28-14-12-20-5-3-4-6-24(20)31-28/h3-17H,1-2H3,(H,32,36)
InChIKeyRABZDOMSFFZINS-UHFFFAOYSA-N
MW486.53 g/mol
LogP6.06
Rot. Bonds4

About 4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide

4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide (PubChem CID 108803165) has the molecular formula C30H22N4O3 and a molecular weight of 486.53 g/mol. Its IUPAC name is 4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide
PubChem CID108803165
Molecular FormulaC30H22N4O3
Molecular Weight486.53 g/mol
Exact Mass486.17
IUPAC Name4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4cc(C)nn4-c4ccc5ccccc5n4)cc3)cc(=O)c2c1
InChIInChI=1S/C30H22N4O3/c1-18-7-13-26-23(15-18)25(35)17-27(37-26)21-8-10-22(11-9-21)30(36)32-29-16-19(2)33-34(29)28-14-12-20-5-3-4-6-24(20)31-28/h3-17H,1-2H3,(H,32,36)
InChIKeyRABZDOMSFFZINS-UHFFFAOYSA-N
XLogP6.06
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide
CID 108790350
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-pyridinyl)benzamide
CID 108803125
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate
CID 108768759
N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790210
N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790344
N-(3-chloro-2-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790173

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide (CID 108803165) is 4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)Nc4cc(C)nn4-c4ccc5ccccc5n4)cc3)cc(=O)c2c1.
What is the InChIKey of 4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide?
The InChIKey is RABZDOMSFFZINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O3/c1-18-7-13-26-23(15-18)25(35)17-27(37-26)21-8-10-22(11-9-21)30(36)32-29-16-19(2)33-34(29)28-14-12-20-5-3-4-6-24(20)31-28/h3-17H,1-2H3,(H,32,36).
What are the key properties of 4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide?
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide has a molecular weight of 486.53 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 108803165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).